Investigation of the Electronic Structure of Metal-Doped TiO2 Photocatalysts
Yazarlar (3)
Prof. Dr. Emine Esra KASAPBAŞI Haliç Üniversitesi, Türkiye
Serap Kırcı Yıldız Teknik Üniversitesi, Türkiye
Arzu Hatipoğlu Yıldız Teknik Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | High Energy Chemistry (Q4) | ||
| Dergi ISSN | 0018-1439 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 10-2024 |
| Kabul Tarihi | 29-05-2024 | Yayınlanma Tarihi | 01-10-2024 |
| Cilt / Sayı / Sayfa | 58 / 5 / 527–535 | DOI | 10.1134/S0018143924700498 |
| Makale Linki | https://doi.org/10.1134/s0018143924700498 | ||
| UAK Araştırma Alanları |
Fiziksel Kimya
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| Özet |
| Water contamination is one of the most critical environmental issues, necessitating the development of effective wastewater treatment methods. The utilization of TiO2 photocatalysts for pollutant removal in wastewater has gained significant attention. This study aims to explore the photocatalytic properties of TiO2 modified through the introduction of different metal dopants, thus altering its electronic structure. Using the density functional theory (DFT) method, we examined the photocatalytic properties of TiO2 clusters doped with metals carrying charges of +3, +4, and +5. Our findings indicate that the incorporation of these metals led to reduced energy and increased stability for the majority of TiO2 clusters. The calculated UV-vis absorption results revealed that the wavelengths of Model B were extended further in the metal cation-doped TiO2 clusters compared to Model A. Our DFT calculations demonstrated that the … |
| Anahtar Kelimeler |
| DFT | molecular modeling | photocatalytic activity | TiO2 | transition metals |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 2 |
| Scopus | 2 |
| Google Scholar | 2 |